2-[(1-phenylethyl)amino]acetohydrazide

• ChemBase ID: 231539
• Molecular Formular: C10H15N3O
• Molecular Mass: 193.2456
• Monoisotopic Mass: 193.12151212
• SMILES: C(=O)(NN)CNC(c1ccccc1)C
• Canonical SMILES: NNC(=O)CNC(c1ccccc1)C
• InChI: InChI=1S/C10H15N3O/c1-8(12-7-10(14)13-11)9-5-3-2-4-6-9/h2-6,8,12H,7,11H2,1H3,(H,13,14)
• InChIKey: UKSHKKKYSLQANP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-phenylethyl)amino]acetohydrazide
• IUPAC Traditional name: 2-[(1-phenylethyl)amino]acetohydrazide
• Synonyms: (1-Phenyl-ethylamino)-acetic acid hydrazide

Database IDs

• CAS Number: 56720-93-5
• MDL Number: MFCD03973219
• PubChem SID: 164287449
• PubChem CID: 3274746

CALCULATED PROPERTIES

• Acid pKa: 12.964277
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -2.318846
• LogD (pH = 7.4): -0.59695137
• Log P: 0.32273468
• Molar Refractivity: 56.1157 cm^3
• Polarizability: 21.852228 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.313

Product Information

• Purity: 95%